General Information of the Compound
Compound ID
CP0519353
Compound Name
(2-cyclohexyloxypyridin-4-yl)methanamine
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Structure
Formula
C12H18N2O
Molecular Weight
206.289
Canonical SMILES
NCc1ccnc(OC2CCCCC2)c1
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InChI
InChI=1S/C12H18N2O/c13-9-10-6-7-14-12(8-10)15-11-4-2-1-3-5-11/h6-8,11H,1-5,9,13H2
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InChIKey
ULGNIWUOIJPCIG-UHFFFAOYSA-N
Physicochemical Property
logP
2.2518
Rotatable Bonds
3
Heavy Atom Count
15
Polar Areas
48.14
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
15

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 16780874
ChEMBL ID
CHEMBL4075255
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT04868, Lysyl oxidase homolog 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
IC50 = 850 nM
   TI
   LI
   LO
   TS
2
IC50 = 1800 nM
   TI
   LI
   LO
   TS
Protein ID: PT05764, Protein-lysine 6-oxidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 34000 nM
   TI
   LI
   LO
   TS